SCHEMBL9797745

SCHEMBL9797745

CCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(CC(=O)OC)CC1

nearest known ligand 0.80

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 14/20 0.80
CACNA1C Q13936 1/20 0.80
OPRD1 P41143 4/20 0.73
OPRK1 P41145 2/20 0.73
OPRL1 P41146 1/20 0.52

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8989441 0.92 OPRM1 (0.82) OPRM1CACNA1COPRD1OPRK1OPRL1
Remifentanil SCHEMBL17874058 0.89 CACNA1C (1.00) OPRM1CACNA1COPRD1OPRK1
Remifentanil SCHEMBL36652 0.89 CACNA1C (1.00) OPRM1CACNA1COPRD1OPRK1
Remifentanil SCHEMBL3711219 0.88 CACNA1C (0.98) OPRM1CACNA1COPRD1OPRK1
Remifentanil SCHEMBL41242 0.88 CACNA1C (0.98) OPRM1CACNA1COPRD1OPRK1
Remifentanil SCHEMBL29846323 0.88 CACNA1C (0.98) OPRM1CACNA1COPRD1OPRK1
Remifentanil SCHEMBL3423820 0.88 CACNA1C (0.98) OPRM1CACNA1COPRD1OPRK1
SCHEMBL11563541 0.87 OPRM1 (0.82) OPRM1CACNA1COPRD1OPRK1
Remifentanil SCHEMBL1649640 0.87 CACNA1C (0.96) OPRM1CACNA1COPRD1OPRK1
Remifentanil SCHEMBL27828413 0.87 CACNA1C (0.96) OPRM1CACNA1COPRD1OPRK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5019583-A N-phenyl-N-(4-piperidinyl)amides useful as analgesics GLAXO INC. (US) 1991-05-28 US disclosed